N-[rel-(2R)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]alanine
Chemical Structure Depiction of
N-[rel-(2R)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]alanine
N-[rel-(2R)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]alanine
Compound characteristics
| Compound ID: | Y042-8834 |
| Compound Name: | N-[rel-(2R)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]alanine |
| Molecular Weight: | 318.33 |
| Molecular Formula: | C15 H18 N4 O4 |
| Smiles: | CC(C)[C@@H](C(N[C@@H](C)C(O)=O)=O)N1C(c2ccccc2N=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3341 |
| logD: | -2.3566 |
| logSw: | -1.9743 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.614 |
| InChI Key: | VVOFXJZMSNYBFE-CABZTGNLSA-N |